2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate

C14H28O6 — CID 175770765

IUPAC2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate
SMILESCCCC(C)(OC)C(=O)O.CCCOC(=O)C(C)OC
InChIInChI=1S/2C7H14O3/c1-4-5-7(2,10-3)6(8)9;1-4-5-10-7(8)6(2)9-3/h4-5H2,1-3H3,(H,8,9);6H,4-5H2,1-3H3
InChIKeyOLFFDOFKPCHOQU-UHFFFAOYSA-N
MW292.37 g/mol
LogP2.25
Rot. Bonds8

About 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate

2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate (PubChem CID 175770765) has the molecular formula C14H28O6 and a molecular weight of 292.37 g/mol. Its IUPAC name is 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate.

Molecular Properties

Compound Name2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate
PubChem CID175770765
Molecular FormulaC14H28O6
Molecular Weight292.37 g/mol
Exact Mass292.19
IUPAC Name2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate
SMILESCCCC(C)(OC)C(=O)O.CCCOC(=O)C(C)OC
InChIInChI=1S/2C7H14O3/c1-4-5-7(2,10-3)6(8)9;1-4-5-10-7(8)6(2)9-3/h4-5H2,1-3H3,(H,8,9);6H,4-5H2,1-3H3
InChIKeyOLFFDOFKPCHOQU-UHFFFAOYSA-N
XLogP2.25
TPSA82.06 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.37
LogP ≤ 52.25
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate?
The IUPAC name of 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate (CID 175770765) is 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate.
What is the SMILES notation for 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate?
The canonical SMILES for 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate is CCCC(C)(OC)C(=O)O.CCCOC(=O)C(C)OC.
What is the InChIKey of 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate?
The InChIKey is OLFFDOFKPCHOQU-UHFFFAOYSA-N. The full InChI is InChI=1S/2C7H14O3/c1-4-5-7(2,10-3)6(8)9;1-4-5-10-7(8)6(2)9-3/h4-5H2,1-3H3,(H,8,9);6H,4-5H2,1-3H3.
What are the key properties of 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate?
2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate has a molecular weight of 292.37 g/mol, XLogP of 2.25, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methoxy-2-methylpentanoic acid;propyl 2-methoxypropanoate is sourced from PubChem (CID 175770765), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).